ethyl 4-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}piperazine-1-carboxylate
ethyl 4-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C096-1463 |
| Compound Name: | ethyl 4-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 545.61 |
| Molecular Formula: | C31 H32 F N3 O5 |
| Smiles: | CCOC(N1CCN(CC1)C(C1C(c2ccc(cc2)OC)N(Cc2ccc(cc2)F)C(c2ccccc12)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2017 |
| logD: | 4.2017 |
| logSw: | -4.1917 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.623 |
| InChI Key: | XDFCTQUSVFYNIQ-UHFFFAOYSA-N |